USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 2 GLN : amide:sc= -0.527 X(o=-0.63,f=-0.22!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.103 K(o=-0.63,f=-11!) USER MOD Single : A 9 SER OG : rot 60:sc= 0.553 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.81 K(o=0.81,f=-0.014) USER MOD Single : A 16 GLN : amide:sc= -0.2 K(o=-0.2,f=-1.7!) USER MOD Single : A 17 TYR OH : rot -100:sc= -1.59! USER MOD Single : A 20 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-2.5!) USER MOD Single : A 21 SER OG : rot -136:sc= -0.677! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 34:sc= 0.917 USER MOD Single : A 38 ASN : amide:sc= -0.051 X(o=-0.051,f=-0.23) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.4) USER MOD Single : A 57 SER OG : rot 180:sc= -0.022 USER MOD Single : A 60 GLN : amide:sc= 0.673 K(o=0.67,f=-0.033) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.013) USER MOD Single : A 67 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.2!) USER MOD Single : A 68 SER OG : rot -41:sc= 1 USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.558 -1.788 -3.291 1.00 0.00 N ATOM 12 CA GLN A 2 1.654 -3.177 -3.726 1.00 0.00 C ATOM 13 C GLN A 2 3.084 -3.525 -4.124 1.00 0.00 C ATOM 14 O GLN A 2 3.679 -2.868 -4.979 1.00 0.00 O ATOM 15 CB GLN A 2 0.708 -3.432 -4.900 1.00 0.00 C ATOM 16 CG GLN A 2 0.467 -4.907 -5.178 1.00 0.00 C ATOM 17 CD GLN A 2 1.491 -5.497 -6.127 1.00 0.00 C ATOM 18 OE1 GLN A 2 1.963 -4.826 -7.045 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.840 -6.760 -5.912 1.00 0.00 N ATOM 0 HA GLN A 2 1.364 -3.814 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.248 -2.948 -4.698 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.119 -2.965 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.489 -5.458 -4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.530 -5.035 -5.600 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.424 -7.280 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.524 -7.211 -6.520 1.00 0.00 H new ATOM 28 N VAL A 3 3.632 -4.563 -3.499 1.00 0.00 N ATOM 29 CA VAL A 3 4.993 -4.999 -3.789 1.00 0.00 C ATOM 30 C VAL A 3 5.043 -6.499 -4.057 1.00 0.00 C ATOM 31 O VAL A 3 4.661 -7.304 -3.210 1.00 0.00 O ATOM 32 CB VAL A 3 5.949 -4.663 -2.629 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.349 -5.177 -2.926 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.965 -3.165 -2.369 1.00 0.00 C ATOM 0 H VAL A 3 3.154 -5.117 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 3 5.315 -4.462 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 3 5.589 -5.160 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.011 -4.931 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.319 -6.259 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.722 -4.711 -3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.646 -2.946 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.300 -2.644 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.961 -2.830 -2.108 1.00 0.00 H new ATOM 44 N ASN A 4 5.519 -6.867 -5.243 1.00 0.00 N ATOM 45 CA ASN A 4 5.620 -8.271 -5.623 1.00 0.00 C ATOM 46 C ASN A 4 7.072 -8.660 -5.884 1.00 0.00 C ATOM 47 O ASN A 4 7.710 -8.139 -6.799 1.00 0.00 O ATOM 48 CB ASN A 4 4.775 -8.545 -6.869 1.00 0.00 C ATOM 49 CG ASN A 4 4.773 -7.376 -7.835 1.00 0.00 C ATOM 50 OD1 ASN A 4 4.116 -6.362 -7.599 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.510 -7.514 -8.931 1.00 0.00 N ATOM 0 H ASN A 4 5.840 -6.213 -5.956 1.00 0.00 H new ATOM 0 HA ASN A 4 5.244 -8.874 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.157 -9.431 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.751 -8.766 -6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.547 -6.761 -9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.039 -8.373 -9.085 1.00 0.00 H new ATOM 58 N ILE A 5 7.586 -9.580 -5.075 1.00 0.00 N ATOM 59 CA ILE A 5 8.962 -10.041 -5.219 1.00 0.00 C ATOM 60 C ILE A 5 9.027 -11.563 -5.290 1.00 0.00 C ATOM 61 O ILE A 5 8.343 -12.259 -4.541 1.00 0.00 O ATOM 62 CB ILE A 5 9.844 -9.554 -4.055 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.782 -8.030 -3.942 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.279 -10.019 -4.247 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.117 -7.512 -2.561 1.00 0.00 C ATOM 0 H ILE A 5 7.071 -10.021 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 5 9.340 -9.620 -6.151 1.00 0.00 H new ATOM 0 HB ILE A 5 9.465 -9.983 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.472 -7.592 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.781 -7.694 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.890 -9.667 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.307 -11.108 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.670 -9.616 -5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.053 -6.424 -2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.411 -7.921 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.129 -7.817 -2.293 1.00 0.00 H new ATOM 77 N ALA A 6 9.856 -12.072 -6.195 1.00 0.00 N ATOM 78 CA ALA A 6 10.014 -13.512 -6.362 1.00 0.00 C ATOM 79 C ALA A 6 11.089 -14.058 -5.428 1.00 0.00 C ATOM 80 O ALA A 6 12.192 -13.518 -5.329 1.00 0.00 O ATOM 81 CB ALA A 6 10.352 -13.842 -7.808 1.00 0.00 C ATOM 0 H ALA A 6 10.429 -11.509 -6.824 1.00 0.00 H new ATOM 0 HA ALA A 6 9.068 -13.989 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.467 -14.920 -7.918 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.549 -13.495 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.283 -13.348 -8.086 1.00 0.00 H new ATOM 87 N PRO A 7 10.763 -15.153 -4.726 1.00 0.00 N ATOM 88 CA PRO A 7 11.688 -15.795 -3.787 1.00 0.00 C ATOM 89 C PRO A 7 12.853 -16.477 -4.496 1.00 0.00 C ATOM 90 O PRO A 7 13.103 -16.233 -5.676 1.00 0.00 O ATOM 91 CB PRO A 7 10.812 -16.832 -3.080 1.00 0.00 C ATOM 92 CG PRO A 7 9.720 -17.130 -4.049 1.00 0.00 C ATOM 93 CD PRO A 7 9.468 -15.849 -4.794 1.00 0.00 C ATOM 0 HA PRO A 7 12.149 -15.074 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.380 -17.730 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.414 -16.442 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.011 -17.928 -4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.820 -17.465 -3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.166 -16.036 -5.825 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.673 -15.265 -4.331 1.00 0.00 H new ATOM 101 N GLY A 8 13.564 -17.334 -3.769 1.00 0.00 N ATOM 102 CA GLY A 8 14.694 -18.038 -4.346 1.00 0.00 C ATOM 103 C GLY A 8 16.023 -17.431 -3.941 1.00 0.00 C ATOM 104 O GLY A 8 17.076 -17.853 -4.418 1.00 0.00 O ATOM 0 H GLY A 8 13.377 -17.553 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.665 -19.082 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.609 -18.027 -5.433 1.00 0.00 H new ATOM 108 N SER A 9 15.974 -16.438 -3.059 1.00 0.00 N ATOM 109 CA SER A 9 17.183 -15.768 -2.595 1.00 0.00 C ATOM 110 C SER A 9 16.844 -14.664 -1.598 1.00 0.00 C ATOM 111 O SER A 9 16.100 -13.734 -1.912 1.00 0.00 O ATOM 112 CB SER A 9 17.954 -15.182 -3.779 1.00 0.00 C ATOM 113 OG SER A 9 19.093 -15.967 -4.085 1.00 0.00 O ATOM 0 H SER A 9 15.110 -16.080 -2.651 1.00 0.00 H new ATOM 0 HA SER A 9 17.808 -16.507 -2.094 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.302 -15.127 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.263 -14.163 -3.547 1.00 0.00 H new ATOM 0 HG SER A 9 18.811 -16.876 -4.319 1.00 0.00 H new ATOM 119 N LEU A 10 17.395 -14.773 -0.394 1.00 0.00 N ATOM 120 CA LEU A 10 17.152 -13.785 0.651 1.00 0.00 C ATOM 121 C LEU A 10 17.801 -12.450 0.300 1.00 0.00 C ATOM 122 O LEU A 10 17.255 -11.386 0.593 1.00 0.00 O ATOM 123 CB LEU A 10 17.688 -14.289 1.992 1.00 0.00 C ATOM 124 CG LEU A 10 17.347 -13.437 3.215 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.173 -14.314 4.445 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.424 -12.389 3.452 1.00 0.00 C ATOM 0 H LEU A 10 18.013 -15.536 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 10 16.075 -13.635 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.305 -15.296 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.773 -14.368 1.920 1.00 0.00 H new ATOM 0 HG LEU A 10 16.405 -12.923 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.931 -13.690 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.365 -15.025 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.098 -14.856 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.165 -11.792 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.381 -12.883 3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.499 -11.741 2.579 1.00 0.00 H new ATOM 138 N ASP A 11 18.968 -12.514 -0.332 1.00 0.00 N ATOM 139 CA ASP A 11 19.690 -11.310 -0.726 1.00 0.00 C ATOM 140 C ASP A 11 18.947 -10.569 -1.833 1.00 0.00 C ATOM 141 O ASP A 11 18.860 -9.341 -1.823 1.00 0.00 O ATOM 142 CB ASP A 11 21.102 -11.667 -1.194 1.00 0.00 C ATOM 143 CG ASP A 11 21.747 -10.552 -1.993 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.850 -9.426 -1.463 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.148 -10.805 -3.148 1.00 0.00 O ATOM 0 H ASP A 11 19.434 -13.386 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 11 19.758 -10.656 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.722 -11.894 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.062 -12.570 -1.803 1.00 0.00 H new ATOM 150 N LYS A 12 18.414 -11.323 -2.788 1.00 0.00 N ATOM 151 CA LYS A 12 17.678 -10.739 -3.903 1.00 0.00 C ATOM 152 C LYS A 12 16.457 -9.972 -3.407 1.00 0.00 C ATOM 153 O LYS A 12 16.307 -8.781 -3.680 1.00 0.00 O ATOM 154 CB LYS A 12 17.243 -11.832 -4.882 1.00 0.00 C ATOM 155 CG LYS A 12 18.261 -12.111 -5.974 1.00 0.00 C ATOM 156 CD LYS A 12 17.710 -11.776 -7.350 1.00 0.00 C ATOM 157 CE LYS A 12 17.928 -10.311 -7.696 1.00 0.00 C ATOM 158 NZ LYS A 12 17.730 -10.049 -9.149 1.00 0.00 N ATOM 0 H LYS A 12 18.478 -12.341 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 12 18.340 -10.041 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.057 -12.752 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.299 -11.541 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.162 -11.526 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.550 -13.161 -5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.193 -12.404 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.645 -12.004 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.239 -9.695 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.937 -10.016 -7.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.888 -9.040 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.405 -10.618 -9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.759 -10.306 -9.419 1.00 0.00 H new ATOM 172 N ALA A 13 15.587 -10.661 -2.676 1.00 0.00 N ATOM 173 CA ALA A 13 14.381 -10.043 -2.138 1.00 0.00 C ATOM 174 C ALA A 13 14.724 -8.845 -1.259 1.00 0.00 C ATOM 175 O ALA A 13 14.013 -7.839 -1.258 1.00 0.00 O ATOM 176 CB ALA A 13 13.571 -11.063 -1.352 1.00 0.00 C ATOM 0 H ALA A 13 15.695 -11.648 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 13 13.780 -9.686 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.673 -10.588 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.287 -11.886 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.172 -11.447 -0.528 1.00 0.00 H new ATOM 182 N LEU A 14 15.815 -8.959 -0.511 1.00 0.00 N ATOM 183 CA LEU A 14 16.252 -7.885 0.374 1.00 0.00 C ATOM 184 C LEU A 14 16.410 -6.577 -0.394 1.00 0.00 C ATOM 185 O LEU A 14 15.916 -5.533 0.031 1.00 0.00 O ATOM 186 CB LEU A 14 17.575 -8.258 1.047 1.00 0.00 C ATOM 187 CG LEU A 14 18.485 -7.091 1.431 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.803 -6.197 2.456 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.813 -7.604 1.968 1.00 0.00 C ATOM 0 H LEU A 14 16.414 -9.785 -0.499 1.00 0.00 H new ATOM 0 HA LEU A 14 15.489 -7.745 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.353 -8.831 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.127 -8.918 0.378 1.00 0.00 H new ATOM 0 HG LEU A 14 18.682 -6.500 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.466 -5.372 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.879 -5.801 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.575 -6.777 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.448 -6.759 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.636 -8.219 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.308 -8.202 1.203 1.00 0.00 H new ATOM 201 N ASN A 15 17.101 -6.642 -1.527 1.00 0.00 N ATOM 202 CA ASN A 15 17.322 -5.462 -2.356 1.00 0.00 C ATOM 203 C ASN A 15 16.034 -5.039 -3.055 1.00 0.00 C ATOM 204 O ASN A 15 15.801 -3.852 -3.282 1.00 0.00 O ATOM 205 CB ASN A 15 18.411 -5.740 -3.394 1.00 0.00 C ATOM 206 CG ASN A 15 19.795 -5.804 -2.778 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.615 -4.906 -2.970 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.061 -6.870 -2.032 1.00 0.00 N ATOM 0 H ASN A 15 17.518 -7.498 -1.892 1.00 0.00 H new ATOM 0 HA ASN A 15 17.646 -4.648 -1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.197 -6.683 -3.898 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.391 -4.960 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.975 -6.969 -1.591 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.351 -7.590 -1.900 1.00 0.00 H new ATOM 215 N GLN A 16 15.201 -6.018 -3.392 1.00 0.00 N ATOM 216 CA GLN A 16 13.936 -5.746 -4.065 1.00 0.00 C ATOM 217 C GLN A 16 13.042 -4.858 -3.205 1.00 0.00 C ATOM 218 O GLN A 16 12.605 -3.793 -3.642 1.00 0.00 O ATOM 219 CB GLN A 16 13.214 -7.056 -4.388 1.00 0.00 C ATOM 220 CG GLN A 16 14.028 -8.000 -5.258 1.00 0.00 C ATOM 221 CD GLN A 16 13.540 -8.038 -6.693 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.753 -7.190 -7.116 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.006 -9.024 -7.451 1.00 0.00 N ATOM 0 H GLN A 16 15.379 -7.006 -3.210 1.00 0.00 H new ATOM 0 HA GLN A 16 14.154 -5.220 -4.995 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.961 -7.561 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.275 -6.829 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.074 -7.692 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.985 -9.004 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.657 -9.705 -7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.713 -9.100 -8.425 1.00 0.00 H new ATOM 232 N TYR A 17 12.774 -5.303 -1.983 1.00 0.00 N ATOM 233 CA TYR A 17 11.930 -4.550 -1.063 1.00 0.00 C ATOM 234 C TYR A 17 12.643 -3.292 -0.575 1.00 0.00 C ATOM 235 O TYR A 17 12.023 -2.244 -0.397 1.00 0.00 O ATOM 236 CB TYR A 17 11.536 -5.422 0.130 1.00 0.00 C ATOM 237 CG TYR A 17 12.442 -5.254 1.329 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.177 -4.291 2.296 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.563 -6.058 1.495 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.003 -4.134 3.392 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.394 -5.908 2.588 1.00 0.00 C ATOM 242 CZ TYR A 17 14.110 -4.945 3.534 1.00 0.00 C ATOM 243 OH TYR A 17 14.934 -4.792 4.625 1.00 0.00 O ATOM 0 H TYR A 17 13.129 -6.182 -1.606 1.00 0.00 H new ATOM 0 HA TYR A 17 11.029 -4.250 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.513 -5.183 0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.544 -6.468 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.311 -3.655 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.788 -6.813 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.783 -3.380 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.261 -6.541 2.701 1.00 0.00 H new ATOM 0 HH TYR A 17 15.724 -4.273 4.368 1.00 0.00 H new ATOM 253 N ALA A 18 13.949 -3.406 -0.361 1.00 0.00 N ATOM 254 CA ALA A 18 14.748 -2.279 0.104 1.00 0.00 C ATOM 255 C ALA A 18 14.727 -1.137 -0.907 1.00 0.00 C ATOM 256 O ALA A 18 14.800 0.034 -0.537 1.00 0.00 O ATOM 257 CB ALA A 18 16.179 -2.721 0.373 1.00 0.00 C ATOM 0 H ALA A 18 14.477 -4.267 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 18 14.311 -1.915 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.764 -1.869 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.182 -3.498 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.617 -3.113 -0.545 1.00 0.00 H new ATOM 263 N ALA A 19 14.628 -1.487 -2.186 1.00 0.00 N ATOM 264 CA ALA A 19 14.596 -0.491 -3.250 1.00 0.00 C ATOM 265 C ALA A 19 13.219 0.154 -3.357 1.00 0.00 C ATOM 266 O ALA A 19 13.092 1.305 -3.774 1.00 0.00 O ATOM 267 CB ALA A 19 14.990 -1.124 -4.576 1.00 0.00 C ATOM 0 H ALA A 19 14.569 -2.452 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 19 15.315 0.290 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.962 -0.369 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.998 -1.531 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.292 -1.926 -4.818 1.00 0.00 H new ATOM 273 N HIS A 20 12.188 -0.596 -2.979 1.00 0.00 N ATOM 274 CA HIS A 20 10.819 -0.097 -3.033 1.00 0.00 C ATOM 275 C HIS A 20 10.540 0.852 -1.872 1.00 0.00 C ATOM 276 O HIS A 20 9.678 1.726 -1.964 1.00 0.00 O ATOM 277 CB HIS A 20 9.828 -1.261 -3.004 1.00 0.00 C ATOM 278 CG HIS A 20 9.048 -1.353 -1.729 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.991 -0.519 -1.431 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.176 -2.188 -0.671 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.504 -0.836 -0.245 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.205 -1.846 0.237 1.00 0.00 N ATOM 0 H HIS A 20 12.275 -1.551 -2.632 1.00 0.00 H new ATOM 0 HA HIS A 20 10.696 0.453 -3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.134 -1.157 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.371 -2.194 -3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.906 -2.976 -0.562 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.674 -0.352 0.247 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.050 -2.299 1.138 1.00 0.00 H new ATOM 290 N SER A 21 11.275 0.674 -0.779 1.00 0.00 N ATOM 291 CA SER A 21 11.104 1.512 0.403 1.00 0.00 C ATOM 292 C SER A 21 11.972 2.764 0.311 1.00 0.00 C ATOM 293 O SER A 21 11.466 3.885 0.318 1.00 0.00 O ATOM 294 CB SER A 21 11.455 0.726 1.667 1.00 0.00 C ATOM 295 OG SER A 21 11.546 1.583 2.792 1.00 0.00 O ATOM 0 H SER A 21 11.995 -0.043 -0.687 1.00 0.00 H new ATOM 0 HA SER A 21 10.059 1.818 0.453 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.697 -0.036 1.847 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.402 0.206 1.524 1.00 0.00 H new ATOM 0 HG SER A 21 12.337 1.346 3.321 1.00 0.00 H new ATOM 301 N GLY A 22 13.284 2.562 0.225 1.00 0.00 N ATOM 302 CA GLY A 22 14.202 3.682 0.134 1.00 0.00 C ATOM 303 C GLY A 22 15.013 3.872 1.400 1.00 0.00 C ATOM 304 O GLY A 22 15.479 4.974 1.688 1.00 0.00 O ATOM 0 H GLY A 22 13.727 1.643 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.878 3.526 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.640 4.592 -0.074 1.00 0.00 H new ATOM 308 N PHE A 23 15.181 2.795 2.160 1.00 0.00 N ATOM 309 CA PHE A 23 15.940 2.848 3.404 1.00 0.00 C ATOM 310 C PHE A 23 17.102 1.859 3.376 1.00 0.00 C ATOM 311 O PHE A 23 17.211 1.037 2.465 1.00 0.00 O ATOM 312 CB PHE A 23 15.028 2.546 4.595 1.00 0.00 C ATOM 313 CG PHE A 23 14.794 1.078 4.815 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.084 0.330 3.890 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.286 0.447 5.946 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.867 -1.020 4.090 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.072 -0.903 6.151 1.00 0.00 C ATOM 318 CZ PHE A 23 14.363 -1.638 5.221 1.00 0.00 C ATOM 0 H PHE A 23 14.802 1.875 1.936 1.00 0.00 H new ATOM 0 HA PHE A 23 16.345 3.854 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.467 2.975 5.496 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.068 3.040 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.696 0.807 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.843 1.016 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.310 -1.591 3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.459 -1.383 7.038 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.197 -2.694 5.378 1.00 0.00 H new ATOM 328 N THR A 24 17.969 1.945 4.380 1.00 0.00 N ATOM 329 CA THR A 24 19.124 1.060 4.470 1.00 0.00 C ATOM 330 C THR A 24 18.916 -0.007 5.539 1.00 0.00 C ATOM 331 O THR A 24 18.239 0.226 6.541 1.00 0.00 O ATOM 332 CB THR A 24 20.410 1.846 4.788 1.00 0.00 C ATOM 333 OG1 THR A 24 20.581 2.909 3.844 1.00 0.00 O ATOM 334 CG2 THR A 24 21.625 0.931 4.756 1.00 0.00 C ATOM 0 H THR A 24 17.893 2.619 5.142 1.00 0.00 H new ATOM 0 HA THR A 24 19.232 0.580 3.497 1.00 0.00 H new ATOM 0 HB THR A 24 20.316 2.264 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.400 3.405 4.054 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.521 1.508 4.983 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.505 0.140 5.497 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.721 0.488 3.765 1.00 0.00 H new ATOM 342 N LEU A 25 19.503 -1.178 5.320 1.00 0.00 N ATOM 343 CA LEU A 25 19.383 -2.283 6.265 1.00 0.00 C ATOM 344 C LEU A 25 20.719 -3.000 6.437 1.00 0.00 C ATOM 345 O LEU A 25 21.404 -3.299 5.459 1.00 0.00 O ATOM 346 CB LEU A 25 18.317 -3.272 5.791 1.00 0.00 C ATOM 347 CG LEU A 25 18.024 -4.443 6.730 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.722 -4.212 7.482 1.00 0.00 C ATOM 349 CD2 LEU A 25 17.967 -5.750 5.952 1.00 0.00 C ATOM 0 H LEU A 25 20.067 -1.387 4.496 1.00 0.00 H new ATOM 0 HA LEU A 25 19.085 -1.873 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.389 -2.724 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.626 -3.674 4.826 1.00 0.00 H new ATOM 0 HG LEU A 25 18.833 -4.511 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.530 -5.056 8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.799 -3.298 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.902 -4.117 6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.758 -6.572 6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.178 -5.693 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.924 -5.923 5.460 1.00 0.00 H new ATOM 361 N SER A 26 21.081 -3.274 7.686 1.00 0.00 N ATOM 362 CA SER A 26 22.335 -3.955 7.986 1.00 0.00 C ATOM 363 C SER A 26 22.076 -5.302 8.654 1.00 0.00 C ATOM 364 O SER A 26 21.750 -5.368 9.839 1.00 0.00 O ATOM 365 CB SER A 26 23.209 -3.084 8.891 1.00 0.00 C ATOM 366 OG SER A 26 24.509 -2.929 8.349 1.00 0.00 O ATOM 0 H SER A 26 20.524 -3.035 8.506 1.00 0.00 H new ATOM 0 HA SER A 26 22.858 -4.130 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.745 -2.106 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.276 -3.535 9.881 1.00 0.00 H new ATOM 0 HG SER A 26 25.047 -2.367 8.945 1.00 0.00 H new ATOM 372 N VAL A 27 22.222 -6.375 7.883 1.00 0.00 N ATOM 373 CA VAL A 27 22.005 -7.722 8.398 1.00 0.00 C ATOM 374 C VAL A 27 23.154 -8.648 8.016 1.00 0.00 C ATOM 375 O VAL A 27 23.652 -8.605 6.891 1.00 0.00 O ATOM 376 CB VAL A 27 20.685 -8.317 7.874 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.584 -8.148 6.366 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.571 -9.783 8.263 1.00 0.00 C ATOM 0 H VAL A 27 22.490 -6.338 6.899 1.00 0.00 H new ATOM 0 HA VAL A 27 21.953 -7.641 9.484 1.00 0.00 H new ATOM 0 HB VAL A 27 19.856 -7.777 8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.645 -8.575 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.617 -7.088 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.418 -8.661 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.632 -10.188 7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.405 -10.339 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.594 -9.874 9.349 1.00 0.00 H new ATOM 388 N ASP A 28 23.570 -9.486 8.960 1.00 0.00 N ATOM 389 CA ASP A 28 24.661 -10.425 8.722 1.00 0.00 C ATOM 390 C ASP A 28 24.420 -11.225 7.447 1.00 0.00 C ATOM 391 O ASP A 28 23.613 -12.154 7.428 1.00 0.00 O ATOM 392 CB ASP A 28 24.814 -11.373 9.913 1.00 0.00 C ATOM 393 CG ASP A 28 25.373 -10.677 11.139 1.00 0.00 C ATOM 394 OD1 ASP A 28 26.597 -10.432 11.175 1.00 0.00 O ATOM 395 OD2 ASP A 28 24.587 -10.378 12.062 1.00 0.00 O ATOM 0 H ASP A 28 23.169 -9.534 9.896 1.00 0.00 H new ATOM 0 HA ASP A 28 25.581 -9.853 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.844 -11.806 10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.471 -12.197 9.636 1.00 0.00 H new ATOM 524 N SER A 37 14.402 -16.173 1.269 1.00 0.00 N ATOM 525 CA SER A 37 13.357 -15.363 1.883 1.00 0.00 C ATOM 526 C SER A 37 12.051 -15.480 1.104 1.00 0.00 C ATOM 527 O SER A 37 12.055 -15.619 -0.119 1.00 0.00 O ATOM 528 CB SER A 37 13.793 -13.898 1.952 1.00 0.00 C ATOM 529 OG SER A 37 12.730 -13.070 2.392 1.00 0.00 O ATOM 0 HA SER A 37 13.191 -15.734 2.894 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.640 -13.799 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.132 -13.569 0.969 1.00 0.00 H new ATOM 0 HG SER A 37 12.179 -13.561 3.037 1.00 0.00 H new ATOM 535 N ASN A 38 10.934 -15.423 1.821 1.00 0.00 N ATOM 536 CA ASN A 38 9.619 -15.523 1.199 1.00 0.00 C ATOM 537 C ASN A 38 9.264 -14.233 0.466 1.00 0.00 C ATOM 538 O ASN A 38 9.140 -13.173 1.078 1.00 0.00 O ATOM 539 CB ASN A 38 8.554 -15.834 2.253 1.00 0.00 C ATOM 540 CG ASN A 38 7.200 -16.127 1.638 1.00 0.00 C ATOM 541 OD1 ASN A 38 6.485 -15.217 1.220 1.00 0.00 O ATOM 542 ND2 ASN A 38 6.841 -17.405 1.580 1.00 0.00 N ATOM 0 H ASN A 38 10.913 -15.308 2.834 1.00 0.00 H new ATOM 0 HA ASN A 38 9.650 -16.336 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.873 -16.691 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.465 -14.989 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.941 -17.664 1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.466 -18.127 1.939 1.00 0.00 H new ATOM 549 N GLY A 39 9.102 -14.332 -0.850 1.00 0.00 N ATOM 550 CA GLY A 39 8.762 -13.166 -1.645 1.00 0.00 C ATOM 551 C GLY A 39 7.566 -12.416 -1.094 1.00 0.00 C ATOM 552 O GLY A 39 6.806 -12.953 -0.286 1.00 0.00 O ATOM 0 H GLY A 39 9.200 -15.198 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.620 -12.495 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.552 -13.477 -2.668 1.00 0.00 H new ATOM 556 N LEU A 40 7.397 -11.172 -1.528 1.00 0.00 N ATOM 557 CA LEU A 40 6.285 -10.346 -1.071 1.00 0.00 C ATOM 558 C LEU A 40 5.163 -10.324 -2.104 1.00 0.00 C ATOM 559 O LEU A 40 5.391 -10.566 -3.290 1.00 0.00 O ATOM 560 CB LEU A 40 6.764 -8.921 -0.791 1.00 0.00 C ATOM 561 CG LEU A 40 5.819 -8.045 0.032 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.440 -8.741 1.330 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.457 -6.693 0.317 1.00 0.00 C ATOM 0 H LEU A 40 8.016 -10.713 -2.196 1.00 0.00 H new ATOM 0 HA LEU A 40 5.897 -10.780 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.721 -8.976 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.947 -8.427 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 40 4.910 -7.881 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.767 -8.102 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.942 -9.684 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.339 -8.936 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.770 -6.083 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.382 -6.838 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.677 -6.189 -0.624 1.00 0.00 H new ATOM 575 N HIS A 41 3.950 -10.031 -1.647 1.00 0.00 N ATOM 576 CA HIS A 41 2.792 -9.974 -2.532 1.00 0.00 C ATOM 577 C HIS A 41 1.652 -9.193 -1.886 1.00 0.00 C ATOM 578 O HIS A 41 0.936 -9.713 -1.031 1.00 0.00 O ATOM 579 CB HIS A 41 2.323 -11.386 -2.884 1.00 0.00 C ATOM 580 CG HIS A 41 2.021 -11.571 -4.340 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.738 -11.662 -4.836 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.845 -11.680 -5.408 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.786 -11.821 -6.147 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.053 -11.835 -6.519 1.00 0.00 N ATOM 0 H HIS A 41 3.743 -9.829 -0.669 1.00 0.00 H new ATOM 0 HA HIS A 41 3.089 -9.459 -3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.091 -12.100 -2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.430 -11.619 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.924 -11.651 -5.390 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.066 -11.922 -6.803 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.389 -11.943 -7.476 1.00 0.00 H new ATOM 592 N GLY A 42 1.490 -7.939 -2.299 1.00 0.00 N ATOM 593 CA GLY A 42 0.436 -7.107 -1.749 1.00 0.00 C ATOM 594 C GLY A 42 0.945 -5.754 -1.292 1.00 0.00 C ATOM 595 O GLY A 42 2.140 -5.473 -1.374 1.00 0.00 O ATOM 0 H GLY A 42 2.070 -7.485 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.340 -6.965 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.027 -7.621 -0.907 1.00 0.00 H new ATOM 599 N ASP A 43 0.035 -4.914 -0.811 1.00 0.00 N ATOM 600 CA ASP A 43 0.398 -3.582 -0.340 1.00 0.00 C ATOM 601 C ASP A 43 0.958 -3.642 1.078 1.00 0.00 C ATOM 602 O ASP A 43 0.210 -3.773 2.047 1.00 0.00 O ATOM 603 CB ASP A 43 -0.817 -2.654 -0.383 1.00 0.00 C ATOM 604 CG ASP A 43 -1.436 -2.576 -1.765 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.060 -3.570 -2.193 1.00 0.00 O ATOM 606 OD2 ASP A 43 -1.298 -1.520 -2.417 1.00 0.00 O ATOM 0 H ASP A 43 -0.959 -5.131 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 43 1.170 -3.187 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.565 -3.006 0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.519 -1.655 -0.064 1.00 0.00 H new ATOM 611 N TYR A 44 2.278 -3.545 1.192 1.00 0.00 N ATOM 612 CA TYR A 44 2.939 -3.592 2.491 1.00 0.00 C ATOM 613 C TYR A 44 4.009 -2.509 2.596 1.00 0.00 C ATOM 614 O TYR A 44 4.860 -2.374 1.717 1.00 0.00 O ATOM 615 CB TYR A 44 3.566 -4.968 2.719 1.00 0.00 C ATOM 616 CG TYR A 44 2.555 -6.092 2.775 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.699 -6.228 3.861 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.457 -7.016 1.743 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.775 -7.253 3.917 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.535 -8.044 1.790 1.00 0.00 C ATOM 621 CZ TYR A 44 0.697 -8.159 2.879 1.00 0.00 C ATOM 622 OH TYR A 44 -0.223 -9.181 2.931 1.00 0.00 O ATOM 0 H TYR A 44 2.911 -3.433 0.400 1.00 0.00 H new ATOM 0 HA TYR A 44 2.187 -3.412 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.278 -5.171 1.919 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.130 -4.951 3.651 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.757 -5.520 4.675 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.113 -6.930 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.117 -7.345 4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.471 -8.754 0.978 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.149 -9.729 2.122 1.00 0.00 H new ATOM 632 N ASP A 45 3.958 -1.741 3.679 1.00 0.00 N ATOM 633 CA ASP A 45 4.923 -0.671 3.903 1.00 0.00 C ATOM 634 C ASP A 45 6.335 -1.232 4.040 1.00 0.00 C ATOM 635 O ASP A 45 6.557 -2.431 3.870 1.00 0.00 O ATOM 636 CB ASP A 45 4.554 0.125 5.156 1.00 0.00 C ATOM 637 CG ASP A 45 3.212 0.819 5.026 1.00 0.00 C ATOM 638 OD1 ASP A 45 3.133 1.824 4.290 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.241 0.355 5.660 1.00 0.00 O ATOM 0 H ASP A 45 3.259 -1.840 4.415 1.00 0.00 H new ATOM 0 HA ASP A 45 4.897 -0.007 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.532 -0.545 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.327 0.868 5.352 1.00 0.00 H new ATOM 644 N VAL A 46 7.287 -0.357 4.347 1.00 0.00 N ATOM 645 CA VAL A 46 8.678 -0.765 4.506 1.00 0.00 C ATOM 646 C VAL A 46 8.821 -1.812 5.605 1.00 0.00 C ATOM 647 O VAL A 46 9.490 -2.828 5.423 1.00 0.00 O ATOM 648 CB VAL A 46 9.581 0.438 4.837 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.029 1.209 6.026 1.00 0.00 C ATOM 650 CG2 VAL A 46 11.006 -0.024 5.106 1.00 0.00 C ATOM 0 H VAL A 46 7.121 0.639 4.491 1.00 0.00 H new ATOM 0 HA VAL A 46 8.993 -1.195 3.555 1.00 0.00 H new ATOM 0 HB VAL A 46 9.596 1.107 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.680 2.055 6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.028 1.572 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.982 0.553 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.630 0.839 5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.012 -0.714 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.398 -0.528 4.223 1.00 0.00 H new ATOM 660 N GLU A 47 8.187 -1.555 6.745 1.00 0.00 N ATOM 661 CA GLU A 47 8.245 -2.477 7.874 1.00 0.00 C ATOM 662 C GLU A 47 7.389 -3.712 7.612 1.00 0.00 C ATOM 663 O GLU A 47 7.858 -4.844 7.737 1.00 0.00 O ATOM 664 CB GLU A 47 7.776 -1.780 9.153 1.00 0.00 C ATOM 665 CG GLU A 47 8.734 -0.710 9.650 1.00 0.00 C ATOM 666 CD GLU A 47 8.046 0.338 10.502 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.441 1.268 9.928 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.113 0.229 11.745 1.00 0.00 O ATOM 0 H GLU A 47 7.628 -0.718 6.911 1.00 0.00 H new ATOM 0 HA GLU A 47 9.280 -2.794 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.801 -1.327 8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.641 -2.527 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.529 -1.180 10.230 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.207 -0.225 8.796 1.00 0.00 H new ATOM 675 N SER A 48 6.130 -3.487 7.248 1.00 0.00 N ATOM 676 CA SER A 48 5.207 -4.581 6.972 1.00 0.00 C ATOM 677 C SER A 48 5.785 -5.530 5.927 1.00 0.00 C ATOM 678 O SER A 48 5.836 -6.742 6.132 1.00 0.00 O ATOM 679 CB SER A 48 3.862 -4.033 6.491 1.00 0.00 C ATOM 680 OG SER A 48 2.794 -4.871 6.898 1.00 0.00 O ATOM 0 H SER A 48 5.726 -2.557 7.138 1.00 0.00 H new ATOM 0 HA SER A 48 5.055 -5.137 7.897 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.712 -3.029 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.868 -3.948 5.404 1.00 0.00 H new ATOM 0 HG SER A 48 1.946 -4.498 6.579 1.00 0.00 H new ATOM 686 N GLY A 49 6.221 -4.968 4.803 1.00 0.00 N ATOM 687 CA GLY A 49 6.790 -5.777 3.741 1.00 0.00 C ATOM 688 C GLY A 49 8.079 -6.458 4.158 1.00 0.00 C ATOM 689 O GLY A 49 8.306 -7.625 3.837 1.00 0.00 O ATOM 0 H GLY A 49 6.190 -3.967 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.066 -6.532 3.436 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.980 -5.148 2.871 1.00 0.00 H new ATOM 693 N LEU A 50 8.927 -5.727 4.874 1.00 0.00 N ATOM 694 CA LEU A 50 10.202 -6.266 5.335 1.00 0.00 C ATOM 695 C LEU A 50 9.989 -7.503 6.201 1.00 0.00 C ATOM 696 O LEU A 50 10.573 -8.557 5.949 1.00 0.00 O ATOM 697 CB LEU A 50 10.972 -5.205 6.122 1.00 0.00 C ATOM 698 CG LEU A 50 11.988 -5.728 7.138 1.00 0.00 C ATOM 699 CD1 LEU A 50 13.035 -6.590 6.451 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.646 -4.573 7.878 1.00 0.00 C ATOM 0 H LEU A 50 8.755 -4.760 5.148 1.00 0.00 H new ATOM 0 HA LEU A 50 10.784 -6.554 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.495 -4.564 5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.252 -4.578 6.648 1.00 0.00 H new ATOM 0 HG LEU A 50 11.461 -6.345 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.749 -6.953 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.549 -7.438 5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.559 -5.998 5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.366 -4.964 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.159 -3.929 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.885 -3.997 8.404 1.00 0.00 H new ATOM 712 N GLN A 51 9.147 -7.368 7.221 1.00 0.00 N ATOM 713 CA GLN A 51 8.855 -8.475 8.123 1.00 0.00 C ATOM 714 C GLN A 51 8.190 -9.626 7.375 1.00 0.00 C ATOM 715 O GLN A 51 8.264 -10.779 7.800 1.00 0.00 O ATOM 716 CB GLN A 51 7.955 -8.006 9.267 1.00 0.00 C ATOM 717 CG GLN A 51 8.544 -6.861 10.075 1.00 0.00 C ATOM 718 CD GLN A 51 9.172 -7.327 11.374 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.683 -7.015 12.460 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.262 -8.078 11.269 1.00 0.00 N ATOM 0 H GLN A 51 8.655 -6.502 7.443 1.00 0.00 H new ATOM 0 HA GLN A 51 9.798 -8.832 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.994 -7.694 8.858 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.760 -8.847 9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.296 -6.347 9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.761 -6.135 10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.633 -8.312 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.728 -8.420 12.109 1.00 0.00 H new ATOM 729 N GLN A 52 7.540 -9.304 6.261 1.00 0.00 N ATOM 730 CA GLN A 52 6.861 -10.312 5.456 1.00 0.00 C ATOM 731 C GLN A 52 7.864 -11.140 4.660 1.00 0.00 C ATOM 732 O GLN A 52 7.602 -12.295 4.321 1.00 0.00 O ATOM 733 CB GLN A 52 5.862 -9.648 4.506 1.00 0.00 C ATOM 734 CG GLN A 52 4.410 -9.910 4.870 1.00 0.00 C ATOM 735 CD GLN A 52 4.110 -11.385 5.051 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.856 -11.846 6.164 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.139 -12.134 3.956 1.00 0.00 N ATOM 0 H GLN A 52 7.469 -8.354 5.896 1.00 0.00 H new ATOM 0 HA GLN A 52 6.323 -10.978 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.038 -8.572 4.501 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.044 -10.006 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.169 -9.379 5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.765 -9.505 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.354 -11.710 3.054 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.946 -13.134 4.017 1.00 0.00 H new ATOM 746 N LEU A 53 9.013 -10.542 4.363 1.00 0.00 N ATOM 747 CA LEU A 53 10.057 -11.225 3.606 1.00 0.00 C ATOM 748 C LEU A 53 10.748 -12.282 4.461 1.00 0.00 C ATOM 749 O LEU A 53 10.806 -13.455 4.091 1.00 0.00 O ATOM 750 CB LEU A 53 11.085 -10.215 3.093 1.00 0.00 C ATOM 751 CG LEU A 53 11.053 -9.928 1.591 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.620 -9.916 1.080 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.741 -8.606 1.286 1.00 0.00 C ATOM 0 H LEU A 53 9.245 -9.587 4.634 1.00 0.00 H new ATOM 0 HA LEU A 53 9.589 -11.722 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.938 -9.275 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.080 -10.576 3.352 1.00 0.00 H new ATOM 0 HG LEU A 53 11.593 -10.723 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.617 -9.710 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.160 -10.887 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.055 -9.142 1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.709 -8.418 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.229 -7.800 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.779 -8.652 1.615 1.00 0.00 H new ATOM 765 N LEU A 54 11.268 -11.859 5.608 1.00 0.00 N ATOM 766 CA LEU A 54 11.954 -12.769 6.519 1.00 0.00 C ATOM 767 C LEU A 54 10.952 -13.554 7.361 1.00 0.00 C ATOM 768 O LEU A 54 11.329 -14.450 8.116 1.00 0.00 O ATOM 769 CB LEU A 54 12.904 -11.991 7.430 1.00 0.00 C ATOM 770 CG LEU A 54 12.354 -11.609 8.805 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.925 -11.102 8.686 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.424 -12.795 9.755 1.00 0.00 C ATOM 0 H LEU A 54 11.228 -10.892 5.929 1.00 0.00 H new ATOM 0 HA LEU A 54 12.531 -13.475 5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.806 -12.586 7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.204 -11.079 6.914 1.00 0.00 H new ATOM 0 HG LEU A 54 12.969 -10.807 9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.550 -10.835 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.903 -10.224 8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.296 -11.883 8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.029 -12.505 10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.833 -13.618 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.461 -13.113 9.865 1.00 0.00 H new ATOM 784 N ASP A 55 9.676 -13.211 7.224 1.00 0.00 N ATOM 785 CA ASP A 55 8.619 -13.885 7.970 1.00 0.00 C ATOM 786 C ASP A 55 8.756 -15.401 7.855 1.00 0.00 C ATOM 787 O ASP A 55 8.857 -15.944 6.756 1.00 0.00 O ATOM 788 CB ASP A 55 7.246 -13.445 7.461 1.00 0.00 C ATOM 789 CG ASP A 55 6.365 -12.904 8.569 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.898 -12.234 9.478 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.141 -13.151 8.529 1.00 0.00 O ATOM 0 H ASP A 55 9.348 -12.471 6.604 1.00 0.00 H new ATOM 0 HA ASP A 55 8.714 -13.607 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.374 -12.680 6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.749 -14.291 6.986 1.00 0.00 H new ATOM 796 N GLY A 56 8.758 -16.077 9.000 1.00 0.00 N ATOM 797 CA GLY A 56 8.884 -17.523 9.006 1.00 0.00 C ATOM 798 C GLY A 56 9.703 -18.029 10.177 1.00 0.00 C ATOM 799 O GLY A 56 9.488 -19.140 10.661 1.00 0.00 O ATOM 0 H GLY A 56 8.675 -15.650 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.891 -17.971 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.348 -17.848 8.075 1.00 0.00 H new ATOM 803 N SER A 57 10.647 -17.212 10.634 1.00 0.00 N ATOM 804 CA SER A 57 11.506 -17.585 11.752 1.00 0.00 C ATOM 805 C SER A 57 11.185 -16.747 12.986 1.00 0.00 C ATOM 806 O SER A 57 11.190 -17.249 14.109 1.00 0.00 O ATOM 807 CB SER A 57 12.978 -17.411 11.372 1.00 0.00 C ATOM 808 OG SER A 57 13.180 -16.207 10.652 1.00 0.00 O ATOM 0 H SER A 57 10.836 -16.287 10.247 1.00 0.00 H new ATOM 0 HA SER A 57 11.321 -18.633 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.591 -17.407 12.273 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.304 -18.258 10.769 1.00 0.00 H new ATOM 0 HG SER A 57 14.129 -16.118 10.422 1.00 0.00 H new ATOM 814 N GLY A 58 10.905 -15.466 12.768 1.00 0.00 N ATOM 815 CA GLY A 58 10.586 -14.578 13.870 1.00 0.00 C ATOM 816 C GLY A 58 11.817 -13.918 14.459 1.00 0.00 C ATOM 817 O GLY A 58 12.484 -14.490 15.322 1.00 0.00 O ATOM 0 H GLY A 58 10.893 -15.027 11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.896 -13.809 13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.072 -15.141 14.649 1.00 0.00 H new ATOM 821 N LEU A 59 12.120 -12.713 13.991 1.00 0.00 N ATOM 822 CA LEU A 59 13.282 -11.974 14.476 1.00 0.00 C ATOM 823 C LEU A 59 12.892 -10.560 14.894 1.00 0.00 C ATOM 824 O LEU A 59 11.757 -10.132 14.686 1.00 0.00 O ATOM 825 CB LEU A 59 14.363 -11.919 13.395 1.00 0.00 C ATOM 826 CG LEU A 59 15.273 -13.144 13.293 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.895 -13.991 12.088 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.732 -12.719 13.213 1.00 0.00 C ATOM 0 H LEU A 59 11.578 -12.226 13.277 1.00 0.00 H new ATOM 0 HA LEU A 59 13.676 -12.495 15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.877 -11.771 12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.986 -11.043 13.576 1.00 0.00 H new ATOM 0 HG LEU A 59 15.140 -13.748 14.191 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.553 -14.858 12.032 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.862 -14.325 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.998 -13.398 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.365 -13.603 13.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.881 -12.093 12.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.996 -12.155 14.108 1.00 0.00 H new ATOM 840 N GLN A 60 13.841 -9.840 15.482 1.00 0.00 N ATOM 841 CA GLN A 60 13.597 -8.473 15.928 1.00 0.00 C ATOM 842 C GLN A 60 14.331 -7.472 15.041 1.00 0.00 C ATOM 843 O GLN A 60 15.473 -7.701 14.643 1.00 0.00 O ATOM 844 CB GLN A 60 14.037 -8.302 17.383 1.00 0.00 C ATOM 845 CG GLN A 60 15.541 -8.163 17.551 1.00 0.00 C ATOM 846 CD GLN A 60 16.058 -8.873 18.787 1.00 0.00 C ATOM 847 OE1 GLN A 60 16.071 -8.309 19.881 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.489 -10.118 18.618 1.00 0.00 N ATOM 0 H GLN A 60 14.786 -10.180 15.661 1.00 0.00 H new ATOM 0 HA GLN A 60 12.527 -8.279 15.855 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.550 -7.420 17.800 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.693 -9.160 17.961 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.040 -8.566 16.670 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.800 -7.106 17.609 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.460 -10.547 17.693 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.849 -10.645 19.413 1.00 0.00 H new ATOM 857 N VAL A 61 13.667 -6.362 14.736 1.00 0.00 N ATOM 858 CA VAL A 61 14.256 -5.325 13.897 1.00 0.00 C ATOM 859 C VAL A 61 14.230 -3.971 14.597 1.00 0.00 C ATOM 860 O VAL A 61 13.177 -3.504 15.031 1.00 0.00 O ATOM 861 CB VAL A 61 13.521 -5.208 12.549 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.333 -4.378 11.567 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.230 -6.589 11.979 1.00 0.00 C ATOM 0 H VAL A 61 12.721 -6.158 15.057 1.00 0.00 H new ATOM 0 HA VAL A 61 15.290 -5.616 13.714 1.00 0.00 H new ATOM 0 HB VAL A 61 12.571 -4.701 12.717 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.797 -4.307 10.621 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.485 -3.378 11.974 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.300 -4.853 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.710 -6.487 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.167 -7.124 11.826 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.604 -7.146 12.676 1.00 0.00 H new ATOM 873 N LYS A 62 15.396 -3.343 14.702 1.00 0.00 N ATOM 874 CA LYS A 62 15.509 -2.041 15.348 1.00 0.00 C ATOM 875 C LYS A 62 16.439 -1.122 14.562 1.00 0.00 C ATOM 876 O LYS A 62 17.453 -1.550 14.011 1.00 0.00 O ATOM 877 CB LYS A 62 16.024 -2.201 16.780 1.00 0.00 C ATOM 878 CG LYS A 62 17.167 -3.192 16.908 1.00 0.00 C ATOM 879 CD LYS A 62 16.720 -4.476 17.586 1.00 0.00 C ATOM 880 CE LYS A 62 16.509 -4.274 19.078 1.00 0.00 C ATOM 881 NZ LYS A 62 17.675 -4.751 19.872 1.00 0.00 N ATOM 0 H LYS A 62 16.277 -3.715 14.348 1.00 0.00 H new ATOM 0 HA LYS A 62 14.517 -1.590 15.374 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.353 -1.230 17.149 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.202 -2.523 17.419 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.563 -3.421 15.919 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.978 -2.741 17.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.794 -4.826 17.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.467 -5.253 17.425 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.339 -3.217 19.281 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.612 -4.807 19.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.493 -4.596 20.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 17.822 -5.766 19.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.526 -4.225 19.589 1.00 0.00 H new ATOM 895 N PRO A 63 16.088 0.171 14.508 1.00 0.00 N ATOM 896 CA PRO A 63 16.880 1.177 13.794 1.00 0.00 C ATOM 897 C PRO A 63 18.209 1.465 14.483 1.00 0.00 C ATOM 898 O PRO A 63 18.388 1.160 15.663 1.00 0.00 O ATOM 899 CB PRO A 63 15.984 2.418 13.820 1.00 0.00 C ATOM 900 CG PRO A 63 15.117 2.234 15.017 1.00 0.00 C ATOM 901 CD PRO A 63 14.892 0.752 15.141 1.00 0.00 C ATOM 0 HA PRO A 63 17.147 0.848 12.790 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.574 3.331 13.895 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.390 2.497 12.909 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.597 2.632 15.911 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.172 2.764 14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.800 0.445 16.183 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.978 0.441 14.635 1.00 0.00 H new ATOM 909 N LEU A 64 19.140 2.054 13.740 1.00 0.00 N ATOM 910 CA LEU A 64 20.455 2.384 14.280 1.00 0.00 C ATOM 911 C LEU A 64 20.748 3.873 14.127 1.00 0.00 C ATOM 912 O LEU A 64 20.884 4.593 15.115 1.00 0.00 O ATOM 913 CB LEU A 64 21.537 1.564 13.575 1.00 0.00 C ATOM 914 CG LEU A 64 21.134 0.157 13.133 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.230 -0.472 12.288 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.824 -0.713 14.342 1.00 0.00 C ATOM 0 H LEU A 64 19.009 2.313 12.762 1.00 0.00 H new ATOM 0 HA LEU A 64 20.457 2.140 15.342 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.869 2.117 12.697 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.394 1.481 14.243 1.00 0.00 H new ATOM 0 HG LEU A 64 20.233 0.232 12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.925 -1.473 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.404 0.140 11.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.149 -0.535 12.872 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.539 -1.711 14.009 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.707 -0.781 14.977 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.003 -0.271 14.907 1.00 0.00 H new ATOM 928 N GLY A 65 20.841 4.328 12.881 1.00 0.00 N ATOM 929 CA GLY A 65 21.115 5.729 12.622 1.00 0.00 C ATOM 930 C GLY A 65 20.236 6.299 11.527 1.00 0.00 C ATOM 931 O GLY A 65 19.024 6.426 11.697 1.00 0.00 O ATOM 0 H GLY A 65 20.731 3.751 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.966 6.301 13.538 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.162 5.845 12.341 1.00 0.00 H new ATOM 935 N ASN A 66 20.848 6.645 10.399 1.00 0.00 N ATOM 936 CA ASN A 66 20.113 7.207 9.272 1.00 0.00 C ATOM 937 C ASN A 66 19.153 6.179 8.681 1.00 0.00 C ATOM 938 O ASN A 66 19.512 5.427 7.776 1.00 0.00 O ATOM 939 CB ASN A 66 21.084 7.693 8.194 1.00 0.00 C ATOM 940 CG ASN A 66 20.866 9.149 7.833 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.813 9.935 7.776 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.614 9.517 7.586 1.00 0.00 N ATOM 0 H ASN A 66 21.851 6.546 10.241 1.00 0.00 H new ATOM 0 HA ASN A 66 19.531 8.054 9.636 1.00 0.00 H new ATOM 0 HB2 ASN A 66 22.108 7.558 8.543 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.968 7.079 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.406 10.484 7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.860 8.832 7.645 1.00 0.00 H new ATOM 949 N ASN A 67 17.930 6.153 9.200 1.00 0.00 N ATOM 950 CA ASN A 67 16.917 5.218 8.725 1.00 0.00 C ATOM 951 C ASN A 67 17.534 3.854 8.427 1.00 0.00 C ATOM 952 O ASN A 67 17.166 3.194 7.455 1.00 0.00 O ATOM 953 CB ASN A 67 16.235 5.766 7.470 1.00 0.00 C ATOM 954 CG ASN A 67 17.231 6.172 6.401 1.00 0.00 C ATOM 955 OD1 ASN A 67 17.518 7.356 6.221 1.00 0.00 O ATOM 956 ND2 ASN A 67 17.763 5.189 5.684 1.00 0.00 N ATOM 0 H ASN A 67 17.616 6.769 9.950 1.00 0.00 H new ATOM 0 HA ASN A 67 16.172 5.097 9.512 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.561 5.010 7.067 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.623 6.627 7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.439 5.401 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.496 4.222 5.868 1.00 0.00 H new ATOM 963 N SER A 68 18.473 3.439 9.270 1.00 0.00 N ATOM 964 CA SER A 68 19.144 2.155 9.095 1.00 0.00 C ATOM 965 C SER A 68 18.618 1.128 10.093 1.00 0.00 C ATOM 966 O SER A 68 18.745 1.303 11.305 1.00 0.00 O ATOM 967 CB SER A 68 20.656 2.319 9.263 1.00 0.00 C ATOM 968 OG SER A 68 21.040 3.676 9.126 1.00 0.00 O ATOM 0 H SER A 68 18.787 3.972 10.081 1.00 0.00 H new ATOM 0 HA SER A 68 18.935 1.797 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.958 1.949 10.243 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.175 1.714 8.520 1.00 0.00 H new ATOM 0 HG SER A 68 20.541 4.084 8.388 1.00 0.00 H new ATOM 974 N TRP A 69 18.028 0.057 9.574 1.00 0.00 N ATOM 975 CA TRP A 69 17.483 -0.999 10.419 1.00 0.00 C ATOM 976 C TRP A 69 18.373 -2.237 10.387 1.00 0.00 C ATOM 977 O TRP A 69 19.094 -2.470 9.416 1.00 0.00 O ATOM 978 CB TRP A 69 16.067 -1.362 9.967 1.00 0.00 C ATOM 979 CG TRP A 69 15.125 -0.196 9.972 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.263 0.972 9.277 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.902 -0.086 10.707 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.199 1.801 9.537 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.350 1.176 10.410 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.218 -0.930 11.586 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.148 1.610 10.962 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.025 -0.497 12.133 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.500 0.763 11.820 1.00 0.00 C ATOM 0 H TRP A 69 17.915 -0.103 8.573 1.00 0.00 H new ATOM 0 HA TRP A 69 17.447 -0.628 11.443 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.110 -1.781 8.962 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.673 -2.141 10.620 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.087 1.209 8.620 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.063 2.732 9.143 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.615 -1.904 11.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.741 2.581 10.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.488 -1.141 12.814 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.566 1.072 12.264 1.00 0.00 H new ATOM 998 N THR A 70 18.318 -3.028 11.453 1.00 0.00 N ATOM 999 CA THR A 70 19.120 -4.241 11.547 1.00 0.00 C ATOM 1000 C THR A 70 18.298 -5.404 12.089 1.00 0.00 C ATOM 1001 O THR A 70 17.384 -5.210 12.892 1.00 0.00 O ATOM 1002 CB THR A 70 20.351 -4.033 12.449 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.221 -5.168 12.361 1.00 0.00 O ATOM 1004 CG2 THR A 70 19.932 -3.819 13.895 1.00 0.00 C ATOM 0 H THR A 70 17.726 -2.850 12.264 1.00 0.00 H new ATOM 0 HA THR A 70 19.455 -4.476 10.537 1.00 0.00 H new ATOM 0 HB THR A 70 20.880 -3.144 12.105 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.671 -5.168 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.818 -3.674 14.513 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.295 -2.937 13.962 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.382 -4.692 14.248 1.00 0.00 H new ATOM 1012 N LEU A 71 18.628 -6.613 11.648 1.00 0.00 N ATOM 1013 CA LEU A 71 17.919 -7.809 12.091 1.00 0.00 C ATOM 1014 C LEU A 71 18.725 -8.560 13.146 1.00 0.00 C ATOM 1015 O LEU A 71 19.868 -8.949 12.906 1.00 0.00 O ATOM 1016 CB LEU A 71 17.634 -8.727 10.901 1.00 0.00 C ATOM 1017 CG LEU A 71 16.233 -8.627 10.297 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.191 -9.143 11.277 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.926 -7.191 9.896 1.00 0.00 C ATOM 0 H LEU A 71 19.382 -6.791 10.984 1.00 0.00 H new ATOM 0 HA LEU A 71 16.974 -7.498 12.536 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.362 -8.511 10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.800 -9.758 11.215 1.00 0.00 H new ATOM 0 HG LEU A 71 16.199 -9.248 9.402 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.200 -9.064 10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.400 -10.186 11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.225 -8.549 12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.925 -7.139 9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.979 -6.549 10.775 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.654 -6.856 9.157 1.00 0.00 H new ATOM 1031 N GLU A 72 18.121 -8.762 14.312 1.00 0.00 N ATOM 1032 CA GLU A 72 18.783 -9.468 15.403 1.00 0.00 C ATOM 1033 C GLU A 72 17.975 -10.691 15.829 1.00 0.00 C ATOM 1034 O GLU A 72 16.750 -10.649 15.938 1.00 0.00 O ATOM 1035 CB GLU A 72 18.984 -8.534 16.598 1.00 0.00 C ATOM 1036 CG GLU A 72 19.543 -9.230 17.827 1.00 0.00 C ATOM 1037 CD GLU A 72 19.497 -8.354 19.065 1.00 0.00 C ATOM 1038 OE1 GLU A 72 19.857 -7.163 18.961 1.00 0.00 O ATOM 1039 OE2 GLU A 72 19.103 -8.860 20.136 1.00 0.00 O ATOM 0 H GLU A 72 17.175 -8.447 14.526 1.00 0.00 H new ATOM 0 HA GLU A 72 19.757 -9.803 15.046 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.658 -7.728 16.309 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.029 -8.074 16.854 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.977 -10.143 18.011 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.574 -9.527 17.635 1.00 0.00 H new